2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine

C45H32FNO — CID 71003822

IUPAC2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2F)c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C45H32FNO/c1-45(2)37-26-32(29-11-5-3-6-12-29)17-21-40(37)47(42-23-19-34(28-39(42)46)30-13-7-4-8-14-30)41-22-18-33(27-38(41)45)31-20-24-44-36(25-31)35-15-9-10-16-43(35)48-44/h3-28H,1-2H3
InChIKeyFYABIFWFEKPSOX-UHFFFAOYSA-N
MW621.76 g/mol
LogP12.84
Rot. Bonds4

About 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine

2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine (PubChem CID 71003822) has the molecular formula C45H32FNO and a molecular weight of 621.76 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine
PubChem CID71003822
Molecular FormulaC45H32FNO
Molecular Weight621.76 g/mol
Exact Mass621.25
IUPAC Name2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2F)c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C45H32FNO/c1-45(2)37-26-32(29-11-5-3-6-12-29)17-21-40(37)47(42-23-19-34(28-39(42)46)30-13-7-4-8-14-30)41-22-18-33(27-38(41)45)31-20-24-44-36(25-31)35-15-9-10-16-43(35)48-44/h3-28H,1-2H3
InChIKeyFYABIFWFEKPSOX-UHFFFAOYSA-N
XLogP12.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.76
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine?
The IUPAC name of 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine (CID 71003822) is 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine.
What is the SMILES notation for 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine?
The canonical SMILES for 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine is CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2F)c2ccc(-c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine?
The InChIKey is FYABIFWFEKPSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32FNO/c1-45(2)37-26-32(29-11-5-3-6-12-29)17-21-40(37)47(42-23-19-34(28-39(42)46)30-13-7-4-8-14-30)41-22-18-33(27-38(41)45)31-20-24-44-36(25-31)35-15-9-10-16-43(35)48-44/h3-28H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine?
2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine has a molecular weight of 621.76 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine is sourced from PubChem (CID 71003822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).